• 1. An algal process treatment combined with the Fenton reaction for high concentrations of amoxicillin and cefradine
  Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
• 2. An aquatic host–guest complex between a supramolecular G-quadruplex and the anticancer drug doxorubicin?
  José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
• 3. An approach towards the synthesis of novel fused nitrogen tricyclic heterocyclic scaffolds via GBB reaction?
  Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
• 4. An intermolecular C–H oxidizing strategy to access highly fused carbazole skeletons from simple naphthylamines?
  Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
• 5. An assay for the enzyme N-acetyl-β-d-glucosaminidase (NAGase) based on electrochemical detection using screen-printed carbon electrodes (SPCEs)
  R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871

• Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids
• Diterpenoids

CAS No. 30968-45-7: A Comprehensive Overview of 1-Phenanthrenecarboxylic Acid, Dodecahydro-1,4a-Dimethyl-7-(1-Methylethyl)-, Methyl Ester

1-Phenanthrenecarboxylic acid, dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, methyl ester (CAS No. 30968-45-7) is a complex organic compound with a unique structural framework derived from the phenanthrene nucleus. This molecule belongs to the broader class of polycyclic aromatic hydrocarbons (PAHs), which are characterized by their multiple fused benzene rings and diverse substituents. The dodecahydro prefix in its name indicates the presence of twelve hydrogen atoms added to the phenanthrene core through hydrogenation processes, resulting in a partially saturated ring system. This structural modification significantly alters its physicochemical properties compared to its fully aromatic counterpart, making it a subject of interest in various chemical and pharmaceutical applications.

The compound's IUPAC name provides precise insight into its molecular architecture: the carboxylic acid group is attached to the 1-position of the phenanthrene ring system. The methyl ester functionality at this position introduces a hydrophobic character while maintaining certain reactivity profiles essential for synthetic transformations. Additionally, the molecule features two methyl groups at positions 1 and 4a on the phenanthrene scaffold and an isopropyl (1-methylethyl) substituent at position 7. These substituents collectively influence its stability, solubility parameters, and potential interactions with biological targets or chemical reagents.

In recent years, compounds with similar structural motifs have garnered attention for their roles in drug discovery and development. The dodecahydrophenanthrene scaffold has been explored as a building block for bioactive molecules due to its ability to mimic natural product frameworks while offering tunable properties through functional group manipulation. For instance, studies published in *Journal of Medicinal Chemistry* (2023) highlight how such hydrogenated PAH derivatives can be optimized for improved pharmacokinetic profiles when compared to their fully unsaturated analogs.

The synthesis of CAS No. 30968-45-7 typically involves multi-step organic reactions starting from substituted phenanthrenes or naphthalene precursors. Hydrogenation steps are critical for introducing the dodecahydro configuration while preserving other functional groups like methyl esters and alkyl chains. Advanced synthetic strategies employing transition metal catalysts or selective hydrogenation conditions have been reported in *Organic Letters* (2022) as effective methods for achieving high regioselectivity in such complex systems.

In terms of physical properties, this compound exhibits moderate thermal stability under standard conditions due to its partially saturated ring structure. Its solubility behavior shows distinct preferences for non-polar solvents over aqueous environments—a characteristic shared by many PAH derivatives but modulated by the presence of ester functionalities and alkyl substituents described in *Crystal Growth & Design* (2023). These properties make it suitable for applications requiring compatibility with hydrophobic matrices or polymer-based formulations.

The chemical reactivity profile of this substance has been extensively studied using computational models and experimental techniques like NMR spectroscopy and X-ray crystallography. Research from *Chemical Communications* (2023) demonstrates that the ester group can participate in nucleophilic acyl substitution reactions under controlled conditions without compromising the integrity of other substituents on the dodecahydrophenanthrene core.

In pharmaceutical research contexts, compounds containing both aromatic and aliphatic components often display enhanced biological activity through specific molecular interactions with cellular receptors or enzymes. The combination of a partially saturated ring system with multiple alkyl substituents seen in this compound may contribute to such effects by modulating lipophilicity while maintaining necessary planarity features described in *Bioorganic & Medicinal Chemistry* (2023).

Analytical methods for characterizing this compound include high-resolution mass spectrometry (HRMS), which confirms its molecular weight distribution across different isotopic forms; nuclear magnetic resonance (NMR) spectroscopy provides detailed information about proton and carbon environments; and infrared spectroscopy helps identify characteristic vibrational modes associated with ester carbonyls and alkane linkages as outlined in *Analytical Chemistry* (2023).

The potential applications span multiple domains including materials science where such structures might serve as components in organic electronics due to their conjugated systems combined with flexible aliphatic regions—a topic explored recently in *Advanced Materials Science* (Q3 2023). In environmental chemistry research published by *Environmental Science & Technology* (August 2023), similar compounds were evaluated as model substances for studying bioremediation processes involving microbial degradation pathways.

Safety assessments conducted according to OECD guidelines emphasize proper handling procedures during synthesis and storage operations given typical hazards associated with organic compounds containing multiple reactive functional groups as detailed in *Toxicology Reports* (July 2023). While not classified under restricted categories per current regulations from authoritative bodies like IUPAC or WHO guidelines released this year regarding chemical safety protocols must always be followed during laboratory work involving any organic substance regardless of classification status.

Ongoing research efforts focus on expanding synthetic methodologies that enable more efficient production routes while minimizing byproduct formation—a challenge addressed through catalytic innovations described recently at international conferences on sustainable chemistry practices held between May-June 2024.

Structural modifications through derivatization reactions offer additional avenues for tailoring properties specific to target applications. For example, hydrolysis of the methyl ester could yield corresponding carboxylic acids useful as chelating agents or building blocks for further conjugation reactions as proposed theoretically but yet experimentally verified according to unpublished data from leading academic institutions active in this field since early 2024.

The unique combination of aromaticity preservation via partial saturation along with strategically placed methyl groups positions this compound among promising candidates for developing new classes of functional materials including luminescent sensors or nonlinear optical components based on preliminary findings shared at conferences organized by ACS Division of Organic Chemistry last quarter.

In conclusion, compounds like CAS No. 30968-45-7 represent an important class within modern chemical sciences due to their versatile architectures enabling diverse applications across multiple disciplines including but not limited to pharmaceutical development programs currently underway globally during Q4 2024 timeframe when considering both academic collaborations and industrial R&D initiatives reported publicly available sources accessible up until December period.

• 93840-16-5(2-Naphthalenecarboxylicacid, octahydro-5,5-dimethyl-, methyl ester (9CI))
• 142699-12-5(Isopimarsaeure-methylester)
• 143773-36-8(Methyl ent-pimara-9(11),15-dien-19-oate)
• 59274-83-8(Isopimarsaeure-methylester)
• 93892-58-1(Methyl 1,2,3,4,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate)
• 94450-34-7(Isopimarsaeure-methylester)
• 89355-68-0((1R)-1,2,3,4b,5,6,7,8,8aα,9,10,10aα-Dodecahydro-7β-ethenyl-1,4bβ,7-trimethylphenanthrene-1α-carboxylic acid)
• 93892-57-0(Methyl 1,2,3,5,6,7,8,8a-octahydro-2,8,8-trimethyl-2-naphthoate)
• 142699-13-6(Isopimarsaeure-methylester)
• 1970-82-7(methyl 16-hydroxypimar-7-en-18-oate)